D048-0206 Screening compound: (E)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydroxylamine

D048-0206 Screening compound: (E)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydroxylamine
D048-0206 Screening compound: (E)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydroxylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0206
(E)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydroxylamine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D048-0206

Molecular Formula

C12H13N3O (C12 H13 N3 O)

Compound Name

(E)-N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydroxylamine

IUPAC name

(E)-N-[(35-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydroxylamine

SMILES

Cc1c(/C=N/O)c(C)nn1-c1ccccc1

InChI

InChI=1S/C12H13N3O/c1-9-12(8-13-16)10(2)15(14-9)11-6-4-3-5-7-11/h3-8,16H,1-2H3

InChI Key

RCSJQQFWHWWMMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01912781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

215.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-1.48

Polar Surface Area

43.672

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D048-0206 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D048-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0206?
Check Price and Availability of D048-0206, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D048-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0206
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D048-0206 available by request